N,3,3-trimethylhexa-1,5-dien-2-amine

C9H17N — CID 129082840

IUPACN,3,3-trimethylhexa-1,5-dien-2-amine
SMILESC=CCC(C)(C)C(=C)NC
InChIInChI=1S/C9H17N/c1-6-7-9(3,4)8(2)10-5/h6,10H,1-2,7H2,3-5H3
InChIKeyXFLDXTGPVJMKAO-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.32
Rot. Bonds4

About N,3,3-trimethylhexa-1,5-dien-2-amine

N,3,3-trimethylhexa-1,5-dien-2-amine (PubChem CID 129082840) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,3,3-trimethylhexa-1,5-dien-2-amine.

Molecular Properties

Compound NameN,3,3-trimethylhexa-1,5-dien-2-amine
PubChem CID129082840
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,3,3-trimethylhexa-1,5-dien-2-amine
SMILESC=CCC(C)(C)C(=C)NC
InChIInChI=1S/C9H17N/c1-6-7-9(3,4)8(2)10-5/h6,10H,1-2,7H2,3-5H3
InChIKeyXFLDXTGPVJMKAO-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N,2,2-tetramethylbut-3-ene-1,3-diamine
CID 155419503
N,2-dimethyl-2-prop-2-enylpent-4-en-1-amine
CID 153496767
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
ethenyl 2,2-dimethylpent-4-enoate
CID 22590352
2,4,4-trimethylhepta-1,6-diene
CID 15205594
N-methylpenta-1,4-dien-2-amine
CID 144973038
(3S)-3-methylhexa-1,5-dien-3-ol
CID 11564468
(2Z)-3,4,4-trimethylhepta-2,6-dienoic acid
CID 90303605
4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine
CID 121013748
4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine
CID 174238580
(4S)-4-methylhept-6-ene-1,4-diol
CID 10464446
2,2-dimethylpent-4-enamide;methoxyethene
CID 174849158

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethylhexa-1,5-dien-2-amine?
The IUPAC name of N,3,3-trimethylhexa-1,5-dien-2-amine (CID 129082840) is N,3,3-trimethylhexa-1,5-dien-2-amine.
What is the SMILES notation for N,3,3-trimethylhexa-1,5-dien-2-amine?
The canonical SMILES for N,3,3-trimethylhexa-1,5-dien-2-amine is C=CCC(C)(C)C(=C)NC.
What is the InChIKey of N,3,3-trimethylhexa-1,5-dien-2-amine?
The InChIKey is XFLDXTGPVJMKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-7-9(3,4)8(2)10-5/h6,10H,1-2,7H2,3-5H3.
What are the key properties of N,3,3-trimethylhexa-1,5-dien-2-amine?
N,3,3-trimethylhexa-1,5-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethylhexa-1,5-dien-2-amine is sourced from PubChem (CID 129082840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).